SCHEMBL8413840

SCHEMBL8413840

CCCCCC1CCC(OC(=O)O[C@]2(CCCC)CC[C@H](C3CCCCC3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 6/20 0.39
CYP1A2 P05177 2/20 0.36
CCR2 P41597 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.31
EPHX1 P07099 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8412372 0.95 NAAA (0.39) NAAACYP1A2CCR2PKMMEN1
SCHEMBL8411044 0.94 NAAA (0.37) NAAACYP1A2HTTCYP2C19EPHX1
SCHEMBL8413983 0.87 NAAA (0.33) NAAACYP2C19EPHX1
SCHEMBL7913856 0.82 NAAA (0.40) NAAACYP1A2CCR2PKMMEN1
SCHEMBL10481707 0.82 CTSK (0.37) NAAACYP1A2CCR2PKMMEN1
SCHEMBL11000817 0.81 TP53 (0.38) NAAACYP1A2CCR2PKMMEN1
SCHEMBL7900588 0.80 NAAA (0.40) NAAACYP1A2CCR2PKMMEN1
SCHEMBL10995311 0.80 TP53 (0.40) NAAACYP1A2CCR2PKMMEN1
SCHEMBL10998987 0.80 TP53 (0.40) NAAACYP1A2CCR2PKMMEN1
SCHEMBL10996820 0.78 TP53 (0.38) NAAACYP1A2CCR2PKMMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394417-B2 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1999-08-04 EP disclosed
EP-0366985-B1 Super twist liquid crystal display MERCK PATENT GMBH (DE) 1994-04-06 EP disclosed
EP-0366985-A1 Super twist liquid crystal display MERCK PATENT GmbH (DE) 1990-05-09 EP disclosed
EP-0258346-A1 LIQUID CRYSTAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1988-03-09 EP disclosed
WO-1987005317-A1 LIQUID CRYSTAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-09-11 WO disclosed